orbital_charges     :real:2:4,17
  0.121457430553959E+001  0.109743428785384E+001  0.959485692544648E+000
  0.845407993102460E+000  0.134208149865548E+001  0.142512148687420E+001
  0.106081332802551E+001  0.105414185642404E+001  0.118188753088782E+001
  0.100731801178441E+001  0.867621852883417E+000  0.908287986184227E+000
  0.137343952934445E+001  0.140305154330581E+001  0.115863420786270E+001
  0.107894010193232E+001  0.120696459402791E+001  0.107499803479071E+001
  0.862426758463214E+000  0.947884314685190E+000  0.126131541859011E+001
  0.103866217942976E+001  0.986933670179991E+000  0.896697015743066E+000
  0.709200299981485E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.815602175186309E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.836782321506737E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.830987770416822E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.886126856377118E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.879984311689722E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.869204788110049E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.182195926228226E+001  0.174650751993585E+001
  0.170757868359444E+001  0.146526096901377E+001  0.115050373536433E+001
  0.931510305007694E+000  0.847081786665651E+000  0.846753967838004E+000
  0.179321813944833E+001  0.162482005460792E+001  0.128657756671582E+001
  0.195244422246785E+001  0.181575067857358E+001  0.169706901902051E+001
  0.179765098069207E+001  0.143330138638881E+001
forces              :real:2:3,17
 -0.271319071802326E-001 -0.572238555588151E-005 -0.228380117275784E-002
 -0.177111172357468E-002 -0.135667360776287E-003 -0.124153354889899E-001
 -0.981008216194035E-002  0.968204824148314E-005 -0.587119742294027E-002
 -0.496535170831602E-002  0.612222862857275E-006 -0.569642922959872E-001
  0.283236751503738E-002  0.801190690883912E-005  0.192001670568158E-001
  0.215090943493422E-001  0.773805530916995E-003  0.920490329074001E-002
  0.163229752166865E-001 -0.392655015648538E-005  0.336069494620644E-001
 -0.815231201623830E-002 -0.120657751710663E-004  0.494987947255918E-002
  0.684755055919668E-002  0.212262889151529E-005 -0.111642120002205E-002
  0.191785682781944E-002 -0.184831718446673E-005 -0.657705427541688E-002
  0.662983506842019E-003 -0.144058909072502E-003 -0.137638663369155E-002
 -0.114423195788271E-002 -0.126270077701333E-002  0.990707520899709E-003
 -0.103039788573153E-002  0.768771796613651E-003  0.912608526230596E-003
 -0.323117257245600E-001  0.401807487746884E-005  0.370688335907793E-001
  0.115109995601216E-001 -0.866614208299078E-005 -0.234577709241384E-001
 -0.464808518488386E-002 -0.445412755666855E-005 -0.144999842721400E-001
  0.293613780083142E-001  0.120861352568902E-004  0.186281947659951E-001
mermin_energy       :real:0:
 -0.266140001467306E+002
end_coords          :real:2:3,17
  0.237077463623157E+001  0.853589229041100E-001 -0.421767943390930E+000
 -0.572964919737130E-001  0.851510530453663E-001  0.598457323323059E+000
  0.141956216262049E+000  0.849809777063942E-001  0.314764099013637E+001
  0.258866004271472E+001  0.850376694860515E-001  0.376057361453194E+001
  0.401808657499559E+001  0.853022311244526E-001  0.157965974837289E+001
 -0.244940613461634E+001  0.851699503052521E-001 -0.821596168054458E+000
  0.318900709202636E+001  0.850376694860515E-001  0.558667252907541E+001
 -0.136608291714370E+001  0.848297996273079E-001  0.453010783160105E+001
  0.606044573167204E+001  0.854156146837673E-001  0.162231086393512E+001
  0.269654449940269E+001  0.855289982430821E-001 -0.243850241566224E+001
 -0.202340520501100E+001  0.853211283843384E-001 -0.284269590735939E+001
 -0.354722355042138E+001 -0.160692849438809E+001 -0.356081068027926E+000
 -0.354731803672081E+001  0.177713611417939E+001 -0.355854300909297E+000
  0.397677716488526E+001  0.852077448250236E-001  0.843602027191460E+001
  0.188978268035858E+001  0.853589229041100E-001  0.977797138818415E+001
  0.201357862987039E+001  0.861904023390847E-001  0.121161482511127E+002
 -0.221645961200422E+000  0.846408270284500E-001  0.859702492614152E+001
